General Information of the Compound
| Compound ID |
CP0237328
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| Compound Name |
6-[[(1R,2S)-2-aminocyclohexyl]amino]-3-oxo-4-pyrazolo[1,5-a]pyridin-3-yl-1,2-dihydropyrrolo[3,4-c]pyridine-7-carbonitrile
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| Structure |
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| Formula |
C21H21N7O
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| Molecular Weight |
387.447
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| Canonical SMILES |
N[C@H]1CCCC[C@H]1Nc1nc(-c2cnn3ccccc23)c2C(=O)NCc2c1C#N
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| InChI |
InChI=1S/C21H21N7O/c22-9-12-13-10-24-21(29)18(13)19(14-11-25-28-8-4-3-7-17(14)28)27-20(12)26-16-6-2-1-5-15(16)23/h3-4,7-8,11,15-16H,1-2,5-6,10,23H2,(H,24,29)(H,26,27)/t15-,16+/m0/s1
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| InChIKey |
ZWGTZVUZDIHLON-JKSUJKDBSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound